(S)-3-Acetyl-1-Boc-pyrrolidine - CAS 1374673-89-8
Catalog: |
BB075500 |
Product Name: |
(S)-3-Acetyl-1-Boc-pyrrolidine |
CAS: |
1374673-89-8 |
Synonyms: |
(3S)-3-Acetyl-1-pyrrolidinecarboxylic Acid 1,1-Dimethylethyl Ester; (S)-tert-Butyl 3-Acetylpyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3S)-3-acetylpyrrolidine-1-carboxylate |
Description: | (S)-3-Acetyl-1-Boc-pyrrolidine is used as a reagent in the synthesis of pyridopyrazine compounds as novel spleen tyrosine kinase (Syk) inhibitors for the treatment of inflammatory diseases. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(=O)C1CCN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H19NO3/c1-8(13)9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3/t9-/m0/s1 |
InChI Key: | WTNNGFYIEBJFPX-VIFPVBQESA-N |
References: | Su, W., et al. PCT Int. Appl. WO 2012167423 A1 20121213. Dec 13, 2012. |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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